UCL 1684 - ≥97%(HPLC) , CAS No.199934-16-2

CAS: 199934-16-2 Cat. No.: U286881 Peso molecular: 654.44 PubChem CID: 9852584

GRADE & PURITY ≥97%(HPLC)

Synonyms

6,12,19,20,25,26-Hexahydro-5,27:13,18:21,24-trietheno-11,7-metheno-7H-dibenzo [b,n] [1,5,12,16]tetraazacyclotricosine-5,13-diium dibromide

Storage

Protected from light,Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

6, 12, 19, 20, 25, 26-Hexahydro-5, 27:13, 18:21, 24-trietheno-11, 7-metheno-7H-dibenzo [b, n] [1, 5, 12, 16]tetraazacyclotricosine-5, 13-diium dibromide

Especificaciones y pureza

≥97%(HPLC)

Mecanismos bioquímicos y fisiológicos

Highly potent, non-peptidic blocker of the apamin-sensitive Ca2+-activated K+channel (KCa2.1) (IC50= 3 nM in rat sympathetic neurons). Blocks hKCa2.1 and rKCa2.2 channels expressed in HEK 293 cells with IC50values of 762 and 364 pM respectively.

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -20°C, Desiccated

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%(HPLC)

Nombres e identificadores

• Sonrisas canónicas: C1C2=CC=C(CNC3=CC=[N+](CC4=CC=CC(=C4)C[N+]5=CC=C(N1)C6=CC=CC=C65)C7=CC=CC=C37)C=C2.[Br-].[Br-]
• IUPAC Name: 17,24-diaza-1,9-diazoniaheptacyclo[23.6.2.29,16.219,22.13,7.010,15.026,31]octatriaconta-1(32),3(38),4,6,9(37),10,12,14,16(36),19,21,25(33),26,28,30,34-hexadecaene;dibromide
• InChIKey: KPNMQIKQVCWNTP-UHFFFAOYSA-N
• INCHI: 1S/C34H28N4.2BrH/c1-3-10-33-29(8-1)31-16-18-37(33)23-27-6-5-7-28(20-27)24-38-19-17-32(30-9-2-4-11-34(30)38)36-22-26-14-12-25(13-15-26)21-35-31;;/h1-20H,21-24H2;2*1H
• Isómeros SMILES: C1C2=CC=C(CNC3=CC=[N+](CC4=CC=CC(=C4)C[N+]5=CC=C(N1)C6=CC=CC=C65)C7=CC=CC=C37)C=C2.[Br-].[Br-]
• PubChem CID: 9852584
• Peso molecular: 654.44

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Quinolines and derivatives
      • Subclass Aminoquinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: Aminoquinolines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: 4-aminoquinolines
• Alternative Parents: Secondary alkylarylamines Aralkylamines Pyridinium derivatives Benzenoids Heteroaromatic compounds Azacyclic compounds Organic bromide salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 4-aminoquinoline - Secondary aliphatic/aromatic amine - Aralkylamine - Pyridine - Pyridinium - Benzenoid - Heteroaromatic compound - Secondary amine - Azacycle - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Organic nitrogen compound - Amine - Organic bromide salt - Organic cation - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 4-aminoquinolines. These are organic compounds containing an amino group attached to the 4-position of a quinoline ring system.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Objetivos asociados (humanos)

KCNN1 Tchem Small conductance calcium-activated potassium channel protein 1 (1 Activities)

Discover Target: KCNN1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solvent:DMSO, Max Conc. mg/mL: 7.21, Max Conc. mM: 10
• Sensibilidad: Light sensitive
• Peso molecular: 654.400 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 654.082 Da
• Monoisotopic Mass: 652.084 Da
• Topological Polar Surface Area: 31.800 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 689.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

XLogP3